#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lui h ALA 0 N 0.00 1.95 -3.51 5.20 0.00 -2.06 -3.33 119.26 117.51 3lui h ALA 0 Ca 0.00 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.26 3lui h ALA 0 Cb 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.39 3lui h ALA 0 CO 0.00 0.03 -0.73 -1.64 0.00 0.00 0.00 179.25 176.90 3lui s MET 1 N -5.01 1.23 -0.42 0.00 -1.94 -1.26 -4.90 119.30 107.00 3lui s MET 1 Ca -0.05 -1.62 -0.22 0.00 -1.71 0.00 0.00 55.69 52.09 3lui s MET 1 Cb 0.17 -2.81 0.02 0.00 2.01 0.00 0.00 34.83 34.22 3lui s MET 1 CO 0.67 -0.96 0.73 -1.58 -0.01 0.00 0.00 175.02 173.88 3lui s HIS 2 N 1.13 3.06 0.04 -0.03 2.46 -1.25 -4.90 115.29 115.79 3lui s HIS 2 Ca 0.11 0.23 -0.21 0.00 0.47 0.00 0.00 55.06 55.66 3lui s HIS 2 Cb -0.18 -3.47 -0.06 0.00 -0.13 0.00 0.00 32.58 28.74 3lui s HIS 2 CO -0.14 -0.86 0.61 -0.06 -2.47 0.00 0.00 174.74 171.82 3lui s PHE 3 N 3.07 3.76 0.05 3.88 0.08 -1.26 -0.42 117.98 127.13 3lui s PHE 3 Ca 0.28 1.28 -0.09 0.00 0.12 0.00 0.00 56.93 58.52 3lui s PHE 3 Cb -0.13 -2.58 -0.00 0.00 -0.57 0.00 0.00 43.02 39.74 3lui s PHE 3 CO 0.20 0.46 0.17 -1.54 -0.10 0.00 0.00 175.22 174.41 3lui s SER 4 N -0.65 0.08 -0.56 1.36 1.04 -0.53 -4.85 113.70 109.59 3lui s SER 4 Ca 0.31 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.33 3lui s SER 4 Cb -0.19 0.29 0.18 0.00 0.10 0.00 0.00 66.02 66.40 3lui s SER 4 CO 0.19 -0.58 0.45 -0.38 0.98 0.00 0.00 173.24 173.90 3lui n ILE 5 N 0.56 0.33 -0.24 -1.02 5.41 -1.26 -0.40 119.36 122.75 3lui n ILE 5 Ca -0.18 -4.23 -0.04 0.00 1.00 0.00 0.00 62.75 59.30 3lui n ILE 5 Cb 0.59 -1.94 0.13 0.00 -0.71 0.00 0.00 39.64 37.71 3lui n ILE 5 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3lui h PRO 6 N 5.29 1.06 -4.78 0.38 0.13 -1.97 -3.45 132.00 128.66 3lui h PRO 6 Ca 0.20 -0.18 -0.30 0.00 -0.87 0.00 0.00 66.00 64.85 3lui h PRO 6 Cb 0.82 -0.18 -0.19 0.00 0.13 0.00 0.00 31.00 31.58 3lui h PRO 6 CO 0.56 0.86 -0.73 -1.21 -0.23 0.00 0.00 178.00 177.25 3lui s GLU 7 N -5.49 0.69 0.32 0.86 2.02 -1.26 -5.09 118.70 110.75 3lui s GLU 7 Ca -0.11 -0.97 0.09 0.00 0.02 0.00 0.00 54.97 54.00 3lui s GLU 7 Cb 0.16 -0.41 -0.05 0.00 0.10 0.00 0.00 34.13 33.93 3lui s GLU 7 CO 0.82 0.07 0.05 0.95 0.02 0.00 0.00 175.26 177.16 3lui s THR 8 N -1.97 2.91 0.10 3.63 -4.23 -1.26 -1.81 115.64 113.01 3lui s THR 8 Ca -0.02 -1.88 -0.22 0.00 -1.18 0.00 0.00 61.69 58.40 3lui s THR 8 Cb -0.06 -2.86 0.06 0.00 1.34 0.00 0.00 72.50 70.98 3lui s THR 8 CO -0.00 -0.23 0.53 -1.83 -0.54 0.00 0.00 174.62 172.55 3lui s GLU 9 N -3.75 1.13 -0.16 3.99 -1.05 -0.08 -4.95 118.70 113.83 3lui s GLU 9 Ca 0.35 -0.40 -0.27 0.00 -0.15 0.00 0.00 54.97 54.51 3lui s GLU 9 Cb -0.02 0.51 -0.01 0.00 -0.44 0.00 0.00 34.13 34.17 3lui s GLU 9 CO 0.20 -0.44 0.89 -1.12 0.95 0.00 0.00 175.26 175.74 3lui s SER 10 N -2.38 7.03 0.29 0.83 0.01 -1.26 -0.04 113.70 118.18 3lui s SER 10 Ca -0.02 1.27 0.04 0.00 1.31 0.00 0.00 55.95 58.56 3lui s SER 10 Cb -0.00 -2.49 -0.06 0.00 0.21 0.00 0.00 66.02 63.68 3lui s SER 10 CO -0.07 -0.44 0.02 -0.60 0.41 0.00 0.00 173.24 172.56 3lui s ARG 11 N 2.23 1.56 0.29 12.44 3.52 -0.73 -4.96 118.95 133.30 3lui s ARG 11 Ca 0.41 -1.83 0.03 0.00 -0.13 0.00 0.00 55.73 54.20 3lui s ARG 11 Cb -0.17 -0.86 -0.01 0.00 -1.56 0.00 0.00 34.95 32.35 3lui s ARG 11 CO 0.13 -0.12 0.09 0.43 -0.81 0.00 0.00 175.30 175.02 3lui n SER 12 N -0.60 1.28 -0.39 -2.12 7.64 -1.26 -2.07 113.62 116.09 3lui n SER 12 Ca -0.03 -2.50 0.02 0.00 1.01 0.00 0.00 58.87 57.36 3lui n SER 12 Cb 0.65 0.68 0.02 0.00 -1.01 0.00 0.00 64.21 64.55 3lui n SER 12 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3lui n SER 15 N -1.65 0.40 0.00 6.43 2.88 -1.26 -5.08 113.62 115.34 3lui n SER 15 Ca -0.05 -2.11 0.00 0.00 -1.33 0.00 0.00 58.87 55.38 3lui n SER 15 Cb 0.42 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 3lui n SER 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3lui n GLY 16 N -0.24 0.21 1.64 0.46 0.00 -1.26 -5.14 105.19 100.85 3lui n GLY 16 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3lui n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lui n GLY 17 N 2.15 -2.63 3.78 -0.02 0.00 -1.26 -4.94 105.19 102.26 3lui n GLY 17 Ca 0.00 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 3lui n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3lui s SER 18 N -2.27 5.51 0.51 1.61 1.04 -1.26 -5.01 113.70 113.84 3lui s SER 18 Ca 0.00 2.02 -0.21 0.00 0.48 0.00 0.00 55.95 58.25 3lui s SER 18 Cb 0.00 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.49 3lui s SER 18 CO 0.00 -1.35 1.12 0.00 0.98 0.00 0.00 173.24 173.98 3lui s ALA 19 N -2.15 2.80 0.16 5.32 0.00 -1.26 -4.89 121.76 121.75 3lui s ALA 19 Ca 0.68 0.80 0.01 0.00 0.00 0.00 0.00 51.96 53.45 3lui s ALA 19 Cb -0.20 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3lui s ALA 19 CO 0.34 -0.63 0.03 1.52 0.00 0.00 0.00 175.76 177.02 3lui s TYR 20 N -1.76 1.09 -0.20 0.00 -0.85 -0.88 -4.98 117.35 109.78 3lui s TYR 20 Ca 0.69 -1.12 -0.26 0.00 -0.52 0.00 0.00 57.07 55.85 3lui s TYR 20 Cb -0.23 -0.62 -0.00 0.00 0.38 0.00 0.00 41.96 41.48 3lui s TYR 20 CO 0.27 -0.35 0.91 0.08 -1.52 0.00 0.00 175.55 174.94 3lui s VAL 21 N -3.83 4.80 -0.12 -3.49 1.01 -1.26 -1.77 120.40 115.74 3lui s VAL 21 Ca 0.25 1.76 -0.05 0.00 0.00 0.00 0.00 61.98 63.95 3lui s VAL 21 Cb 0.07 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3lui s VAL 21 CO 0.04 -0.07 0.05 0.00 0.00 0.00 0.00 175.10 175.12 3lui s ALA 22 N 2.65 3.45 -0.26 5.51 0.00 0.94 -4.39 121.76 129.66 3lui s ALA 22 Ca 0.40 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 3lui s ALA 22 Cb -0.16 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 3lui s ALA 22 CO 0.09 0.46 0.12 0.71 0.00 0.00 0.00 175.76 177.15 3lui s TYR 23 N -0.50 3.15 -0.74 0.00 2.02 0.37 -0.90 117.35 120.76 3lui s TYR 23 Ca 0.10 -0.16 -0.24 0.00 -0.37 0.00 0.00 57.07 56.39 3lui s TYR 23 Cb -0.12 -2.29 0.06 0.00 -0.40 0.00 0.00 41.96 39.21 3lui s TYR 23 CO 0.02 -0.24 1.15 -0.80 -1.57 0.00 0.00 175.55 174.11 3lui s ASN 24 N 1.60 6.23 -0.25 2.29 0.01 -0.75 -2.12 114.94 121.95 3lui s ASN 24 Ca 0.06 -0.88 -0.24 0.00 -0.71 0.00 0.00 52.86 51.10 3lui s ASN 24 Cb -0.15 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.01 3lui s ASN 24 CO 0.06 -1.59 0.81 -0.63 -1.51 0.00 0.00 177.10 174.24 3lui s ILE 25 N 4.76 4.84 -0.08 0.60 1.01 0.34 -3.88 121.20 128.79 3lui s ILE 25 Ca 0.30 1.49 -0.05 0.00 0.00 0.00 0.00 60.65 62.40 3lui s ILE 25 Cb -0.11 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 3lui s ILE 25 CO 0.09 -0.08 0.12 -1.00 0.00 0.00 0.00 174.94 174.06 3lui s HIS 26 N 2.83 3.49 -0.14 3.97 3.76 0.47 -0.31 115.29 129.37 3lui s HIS 26 Ca 0.34 0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.68 3lui s HIS 26 Cb -0.15 -1.88 -0.00 0.00 1.11 0.00 0.00 32.58 31.66 3lui s HIS 26 CO 0.08 0.66 -0.17 0.08 -0.85 0.00 0.00 174.74 174.54 3lui s VAL 27 N -1.07 2.59 -1.51 -0.90 1.01 -0.32 -1.45 120.40 118.75 3lui s VAL 27 Ca 0.18 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 3lui s VAL 27 Cb -0.12 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.27 3lui s VAL 27 CO 0.07 0.53 0.95 0.59 0.00 0.00 0.00 175.10 177.24 3lui n ASN 28 N 3.82 -4.93 0.00 3.32 3.02 0.45 -2.39 115.26 118.54 3lui n ASN 28 Ca -0.19 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 3lui n ASN 28 Cb 0.52 -3.94 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 3lui n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lui n GLY 29 N -1.67 0.61 3.22 7.41 0.00 -1.26 -5.02 105.19 108.47 3lui n GLY 29 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 3lui n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lui s VAL 30 N -2.39 1.29 0.10 1.61 -7.23 -1.01 -5.08 120.40 107.69 3lui s VAL 30 Ca 0.00 -1.57 -0.32 0.00 -1.81 0.00 0.00 61.98 58.28 3lui s VAL 30 Cb 0.00 -1.39 -0.11 0.00 0.56 0.00 0.00 36.38 35.44 3lui s VAL 30 CO 0.00 -0.33 1.84 -0.11 -0.31 0.00 0.00 175.10 176.19 3lui n LEU 31 N 0.81 3.93 -0.11 1.32 7.94 -1.26 -1.17 117.00 128.46 3lui n LEU 31 Ca -0.18 0.99 -0.22 0.00 -1.11 0.00 0.00 56.01 55.49 3lui n LEU 31 Cb 0.56 -1.52 -0.07 0.00 0.53 0.00 0.00 43.42 42.92 3lui n LEU 31 CO 0.25 0.12 -1.18 1.57 -1.11 0.00 0.00 177.39 177.04 3lui n HIS 32 N 5.74 0.00 -3.54 1.96 -0.00 0.58 -4.81 115.22 115.16 3lui n HIS 32 Ca 0.19 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.76 3lui n HIS 32 Cb 0.36 -0.77 -0.05 0.00 -0.00 0.00 0.00 29.99 29.53 3lui n HIS 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3lui s ARG 34 N -2.23 3.56 0.05 0.00 3.52 -1.26 -0.50 118.95 122.08 3lui s ARG 34 Ca -0.06 -0.58 -0.05 0.00 -0.13 0.00 0.00 55.73 54.91 3lui s ARG 34 Cb -0.01 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 3lui s ARG 34 CO 0.00 0.19 0.08 0.14 -0.81 0.00 0.00 175.30 174.89 3lui s VAL 35 N 0.48 0.15 0.45 7.11 -7.23 -0.90 -4.86 120.40 115.60 3lui s VAL 35 Ca -0.05 -1.27 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 3lui s VAL 35 Cb -0.15 -1.08 0.01 0.00 0.56 0.00 0.00 36.38 35.72 3lui s VAL 35 CO 0.03 -0.70 0.64 0.00 -0.31 0.00 0.00 175.10 174.77 3lui s ARG 36 N -3.06 2.89 0.27 4.82 1.70 -1.26 -0.47 118.95 123.83 3lui s ARG 36 Ca -0.01 -0.79 -0.01 0.00 -0.47 0.00 0.00 55.73 54.45 3lui s ARG 36 Cb 0.02 -2.62 0.49 0.00 -0.57 0.00 0.00 34.95 32.26 3lui s ARG 36 CO -0.07 -0.33 1.82 -0.92 -1.08 0.00 0.00 175.30 174.72 3lui h TYR 37 N 0.44 1.00 0.00 5.89 3.20 -2.00 -2.41 116.97 123.09 3lui h TYR 37 Ca -0.44 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.39 3lui h TYR 37 Cb 1.27 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 3lui h TYR 37 CO 0.41 0.39 -0.32 0.66 -1.64 0.00 0.00 178.16 177.67 3lui h SER 38 N 0.89 0.00 -0.25 -2.11 4.64 -1.95 0.19 113.55 114.95 3lui h SER 38 Ca 0.46 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.71 3lui h SER 38 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3lui h SER 38 CO -0.26 0.32 -0.09 1.56 -0.87 0.00 0.00 176.83 177.49 3lui h GLN 39 N 0.00 0.50 -0.44 4.77 4.20 -1.84 -0.89 115.11 121.42 3lui h GLN 39 Ca -0.00 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.43 3lui h GLN 39 Cb 0.57 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3lui h GLN 39 CO 0.04 0.74 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.84 3lui h LEU 40 N 0.24 0.71 -0.53 1.46 3.38 -1.27 -1.25 115.31 118.04 3lui h LEU 40 Ca 0.06 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3lui h LEU 40 Cb 0.57 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3lui h LEU 40 CO 0.03 0.80 0.35 0.25 0.09 0.00 0.00 178.44 179.96 3lui h LEU 41 N 0.68 0.60 -0.83 1.67 5.85 -0.55 -0.82 115.31 121.92 3lui h LEU 41 Ca 0.13 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3lui h LEU 41 Cb 0.47 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3lui h LEU 41 CO 0.02 0.44 0.54 1.23 -0.34 0.00 0.00 178.44 180.33 3lui h GLY 42 N 0.72 1.18 0.67 3.75 0.00 -0.71 -0.12 103.07 108.55 3lui h GLY 42 Ca 0.20 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.14 3lui h GLY 42 CO -0.05 0.40 -0.01 -2.00 0.00 0.00 0.00 176.54 174.88 3lui h LEU 43 N 1.09 -0.11 -0.48 3.11 5.85 -0.84 0.66 115.31 124.59 3lui h LEU 43 Ca 0.31 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.09 3lui h LEU 43 Cb -0.08 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3lui h LEU 43 CO -0.08 -0.03 0.30 -0.74 -0.34 0.00 0.00 178.44 177.55 3lui h HIS 44 N 0.05 0.57 -0.64 1.25 2.76 -0.66 -0.64 115.15 117.83 3lui h HIS 44 Ca 0.09 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.23 3lui h HIS 44 Cb 0.13 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 3lui h HIS 44 CO -0.19 0.34 0.20 0.93 -1.30 0.00 0.00 177.93 177.91 3lui h GLU 45 N 0.61 0.98 -0.49 5.26 5.08 -0.80 0.04 114.58 125.26 3lui h GLU 45 Ca 0.18 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3lui h GLU 45 Cb -0.03 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 3lui h GLU 45 CO -0.06 0.84 0.30 1.96 -1.00 0.00 0.00 179.01 181.05 3lui h GLN 46 N 0.94 0.59 -0.54 2.33 4.20 -0.39 -1.65 115.11 120.59 3lui h GLN 46 Ca 0.21 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.78 3lui h GLN 46 Cb 0.27 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3lui h GLN 46 CO -0.01 0.39 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.41 3lui h LEU 47 N 0.61 0.99 -0.91 1.46 4.07 -0.63 -1.78 115.31 119.11 3lui h LEU 47 Ca 0.19 -0.33 -0.07 0.00 0.08 0.00 0.00 57.88 57.75 3lui h LEU 47 Cb -0.02 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.43 3lui h LEU 47 CO -0.07 1.09 0.04 -0.09 -1.08 0.00 0.00 178.44 178.33 3lui h ARG 48 N 0.87 0.84 -0.11 1.13 9.65 -0.91 0.24 114.38 126.10 3lui h ARG 48 Ca 0.15 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 3lui h ARG 48 Cb 0.62 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.09 3lui h ARG 48 CO 0.04 0.82 0.02 -0.22 2.80 0.00 0.00 179.97 183.43 3lui h LYS 49 N 0.79 0.17 -0.33 0.20 3.64 -1.15 0.15 116.57 120.04 3lui h LYS 49 Ca 0.16 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.33 3lui h LYS 49 Cb 0.42 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3lui h LYS 49 CO 0.01 0.36 -0.43 1.49 -2.27 0.00 0.00 179.45 178.62 3lui h GLU 50 N -0.05 0.87 -0.00 1.90 4.57 -1.10 -3.35 114.58 117.42 3lui h GLU 50 Ca 0.03 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3lui h GLU 50 Cb 0.27 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3lui h GLU 50 CO 0.00 1.14 -0.47 0.66 -1.18 0.00 0.00 179.01 179.16 3lui n TYR 51 N -4.08 0.00 -4.01 0.92 4.01 0.84 -5.09 117.16 109.74 3lui n TYR 51 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3lui n TYR 51 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 3lui n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3lui n GLY 52 N 1.20 -1.71 3.79 2.72 0.00 0.52 -4.81 105.19 106.91 3lui n GLY 52 Ca 0.03 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 3lui n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lui s ALA 53 N -1.01 3.29 -0.82 4.61 0.00 -1.26 -4.15 121.76 122.41 3lui s ALA 53 Ca 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 3lui s ALA 53 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3lui s ALA 53 CO 0.00 0.23 0.08 -1.71 0.00 0.00 0.00 175.76 174.37 3lui n ASN 54 N 0.60 -3.46 0.00 0.00 5.15 -1.26 -4.89 115.26 111.40 3lui n ASN 54 Ca 0.00 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 3lui n ASN 54 Cb 0.51 -2.62 0.00 0.00 -0.53 0.00 0.00 39.78 37.14 3lui n ASN 54 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3lui n VAL 55 N -3.96 0.00 -2.75 3.44 0.31 -1.26 -5.08 118.33 109.03 3lui n VAL 55 Ca -0.10 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.90 3lui n VAL 55 Cb 0.58 -0.63 -0.06 0.00 -0.91 0.00 0.00 33.84 32.82 3lui n VAL 55 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3lui s LEU 56 N -4.38 3.93 0.89 7.52 2.01 -1.26 -5.05 118.68 122.34 3lui s LEU 56 Ca 0.00 1.76 -0.11 0.00 0.01 0.00 0.00 54.13 55.79 3lui s LEU 56 Cb 0.00 -4.52 0.13 0.00 0.01 0.00 0.00 46.19 41.81 3lui s LEU 56 CO 0.00 -0.46 1.10 -2.84 1.01 0.00 0.00 176.35 175.17 3lui s PRO 57 N -3.14 1.27 0.08 1.29 0.02 -1.26 -4.95 135.00 128.32 3lui s PRO 57 Ca 0.63 1.17 -0.31 0.00 0.02 0.00 0.00 61.00 62.51 3lui s PRO 57 Cb -0.11 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.54 3lui s PRO 57 CO 0.15 -2.33 1.55 0.00 -0.33 0.00 0.00 177.00 176.04 3lui s ALA 58 N -2.78 3.67 -0.02 -1.55 0.00 -1.26 -5.00 121.76 114.81 3lui s ALA 58 Ca 0.64 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 53.64 3lui s ALA 58 Cb -0.20 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 3lui s ALA 58 CO 0.58 -0.92 0.37 0.12 0.00 0.00 0.00 175.76 175.90 3lui s PHE 59 N 2.03 3.71 0.39 0.00 5.36 -1.26 -4.83 117.98 123.38 3lui s PHE 59 Ca 0.70 0.92 -0.26 0.00 -0.96 0.00 0.00 56.93 57.33 3lui s PHE 59 Cb -0.39 -2.24 -0.11 0.00 -0.34 0.00 0.00 43.02 39.95 3lui s PHE 59 CO 0.31 0.65 1.27 -2.30 -1.46 0.00 0.00 175.22 173.69 3lui n PRO 60 N 1.87 1.98 -2.05 10.12 -0.02 -1.26 -4.93 135.00 140.71 3lui n PRO 60 Ca -0.15 0.70 -0.34 0.00 -2.02 0.00 0.00 63.50 61.70 3lui n PRO 60 Cb 0.53 -2.35 0.02 0.00 -0.02 0.00 0.00 33.50 31.67 3lui n PRO 60 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3lui s PRO 61 N -2.09 3.18 0.44 0.52 0.04 -1.26 -5.02 135.00 130.81 3lui s PRO 61 Ca 0.59 1.42 -0.24 0.00 0.04 0.00 0.00 61.00 62.81 3lui s PRO 61 Cb -0.53 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.94 3lui s PRO 61 CO 0.59 -0.96 1.17 0.15 0.04 0.00 0.00 177.00 178.00 3lui s LYS 62 N -3.75 3.86 0.04 4.56 1.02 -1.26 -5.06 119.74 119.14 3lui s LYS 62 Ca 0.68 1.81 0.09 0.00 0.02 0.00 0.00 55.97 58.57 3lui s LYS 62 Cb -0.20 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 3lui s LYS 62 CO 0.34 -0.48 -0.25 0.15 -0.92 0.00 0.00 175.35 174.19 3lui s LYS 63 N -2.56 1.85 0.00 1.68 -0.14 -1.26 -5.02 119.74 114.30 3lui s LYS 63 Ca 0.61 -1.08 0.25 0.00 -1.36 0.00 0.00 55.97 54.39 3lui s LYS 63 Cb -0.30 -2.01 0.53 0.00 -1.68 0.00 0.00 37.83 34.37 3lui s LYS 63 CO 0.36 0.52 1.42 1.28 -0.76 0.00 0.00 175.35 178.18 3lui n LEU 64 N 1.79 1.25 -4.24 3.17 4.77 -1.26 -4.93 117.00 117.55 3lui n LEU 64 Ca -0.17 -0.38 -0.21 0.00 -0.03 0.00 0.00 56.01 55.22 3lui n LEU 64 Cb 0.52 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 3lui n LEU 64 CO 0.23 0.24 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.68 3lui s PHE 65 N -2.53 1.55 0.34 -1.77 0.08 -1.26 -5.11 117.98 109.28 3lui s PHE 65 Ca 0.22 -0.44 -0.28 0.00 0.12 0.00 0.00 56.93 56.54 3lui s PHE 65 Cb 0.19 -0.85 -0.12 0.00 -0.57 0.00 0.00 43.02 41.67 3lui s PHE 65 CO 0.55 0.15 1.37 -1.13 -0.10 0.00 0.00 175.22 176.06 3lui n SER 66 N 1.10 3.11 -4.74 1.36 3.41 -1.26 -4.92 113.62 111.68 3lui n SER 66 Ca -0.20 1.21 -0.41 0.00 -0.26 0.00 0.00 58.87 59.21 3lui n SER 66 Cb 0.54 -1.52 -0.05 0.00 -0.26 0.00 0.00 64.21 62.92 3lui n SER 66 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3lui s LEU 67 N -1.21 4.54 0.83 1.04 1.02 -1.26 -5.05 118.68 118.60 3lui s LEU 67 Ca 0.56 1.79 -0.11 0.00 0.02 0.00 0.00 54.13 56.39 3lui s LEU 67 Cb -0.54 -3.54 0.09 0.00 0.02 0.00 0.00 46.19 42.23 3lui s LEU 67 CO 0.61 0.02 1.10 0.42 0.02 0.00 0.00 176.35 178.53 3lui s THR 68 N -0.39 2.88 0.48 5.49 -4.23 -1.26 -4.77 115.64 113.83 3lui s THR 68 Ca 0.44 0.28 0.23 0.00 -1.18 0.00 0.00 61.69 61.46 3lui s THR 68 Cb -0.24 -2.63 0.41 0.00 1.34 0.00 0.00 72.50 71.38 3lui s THR 68 CO 0.29 -0.37 1.90 -0.65 -0.54 0.00 0.00 174.62 175.25 3lui h PRO 69 N -1.42 0.20 -0.25 3.99 0.11 -1.99 0.08 132.00 132.72 3lui h PRO 69 Ca -0.44 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 3lui h PRO 69 Cb 1.25 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3lui h PRO 69 CO 0.49 0.13 -0.49 0.00 -0.21 0.00 0.00 178.00 177.93 3lui h ALA 70 N 1.62 0.66 -0.37 -0.75 0.00 -2.00 -1.92 119.26 116.50 3lui h ALA 70 Ca 0.41 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3lui h ALA 70 Cb 1.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3lui h ALA 70 CO -0.09 0.68 -0.31 0.93 0.00 0.00 0.00 179.25 180.46 3lui h GLU 71 N 0.55 0.81 -0.47 0.00 5.08 -1.54 -1.70 114.58 117.31 3lui h GLU 71 Ca 0.03 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3lui h GLU 71 Cb 1.05 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 3lui h GLU 71 CO 0.10 1.01 0.27 0.28 -1.00 0.00 0.00 179.01 179.67 3lui h VAL 72 N 0.69 1.16 -0.57 3.13 2.07 -0.91 0.61 116.25 122.43 3lui h VAL 72 Ca 0.07 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3lui h VAL 72 Cb 0.86 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3lui h VAL 72 CO 0.08 0.17 0.21 -0.08 0.02 0.00 0.00 177.57 177.96 3lui h GLU 73 N 0.62 0.86 -0.48 1.57 4.57 -1.24 0.14 114.58 120.62 3lui h GLU 73 Ca 0.17 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3lui h GLU 73 Cb 0.03 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 3lui h GLU 73 CO -0.03 0.75 0.20 0.37 -1.18 0.00 0.00 179.01 179.13 3lui h GLN 74 N 0.78 0.70 -0.74 1.92 5.75 -1.10 -1.58 115.11 120.85 3lui h GLN 74 Ca 0.19 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 3lui h GLN 74 Cb 0.23 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 3lui h GLN 74 CO -0.01 0.62 0.34 -0.09 -2.65 0.00 0.00 178.83 177.04 3lui h ARG 75 N 0.63 1.07 -0.05 1.69 2.43 -0.58 -1.42 114.38 118.14 3lui h ARG 75 Ca 0.16 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3lui h ARG 75 Cb 0.17 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3lui h ARG 75 CO -0.02 0.83 0.03 -0.09 -1.51 0.00 0.00 179.97 179.22 3lui h ARG 76 N 1.06 0.07 -0.58 0.20 2.43 -0.35 0.18 114.38 117.39 3lui h ARG 76 Ca 0.25 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.48 3lui h ARG 76 Cb 0.13 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 3lui h ARG 76 CO -0.03 0.08 0.28 0.93 -1.51 0.00 0.00 179.97 179.72 3lui h GLU 77 N 0.03 0.50 -0.28 0.20 5.08 -1.08 0.27 114.58 119.30 3lui h GLU 77 Ca 0.02 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 3lui h GLU 77 Cb 0.03 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3lui h GLU 77 CO -0.00 0.33 -0.50 1.96 -1.00 0.00 0.00 179.01 179.80 3lui h GLN 78 N 0.52 0.78 -0.46 2.33 4.20 -0.92 -1.89 115.11 119.65 3lui h GLN 78 Ca 0.27 -0.46 -0.07 0.00 0.06 0.00 0.00 58.65 58.44 3lui h GLN 78 Cb 0.22 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3lui h GLN 78 CO -0.21 1.09 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.97 3lui h LEU 79 N 0.61 0.73 -0.36 1.46 3.38 -0.44 -0.06 115.31 120.63 3lui h LEU 79 Ca 0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3lui h LEU 79 Cb 1.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3lui h LEU 79 CO 0.11 0.80 0.14 -0.08 0.09 0.00 0.00 178.44 179.50 3lui h GLU 80 N 0.72 0.54 -0.20 1.13 4.81 -0.71 -1.74 114.58 119.12 3lui h GLU 80 Ca 0.14 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 3lui h GLU 80 Cb 0.44 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3lui h GLU 80 CO 0.02 0.53 -0.37 -0.22 -0.73 0.00 0.00 179.01 178.24 3lui h LYS 81 N 0.44 0.45 0.10 1.92 3.64 -1.17 -2.47 116.57 119.49 3lui h LYS 81 Ca 0.12 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3lui h LYS 81 Cb 0.19 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3lui h LYS 81 CO -0.01 0.75 -0.05 -0.92 -2.27 0.00 0.00 179.45 176.95 3lui h TYR 82 N 0.38 -0.13 -0.76 1.91 3.20 -0.83 -0.44 116.97 120.31 3lui h TYR 82 Ca 0.04 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3lui h TYR 82 Cb 0.82 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 3lui h TYR 82 CO 0.03 0.01 0.37 0.52 -1.64 0.00 0.00 178.16 177.44 3lui h MET 83 N -0.25 1.08 -0.61 1.82 2.86 -1.26 0.17 114.93 118.74 3lui h MET 83 Ca -0.01 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 3lui h MET 83 Cb 0.20 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3lui h MET 83 CO 0.02 0.83 0.15 1.96 1.06 0.00 0.00 176.91 180.93 3lui h GLN 84 N 1.07 0.98 -0.41 1.72 4.20 -1.35 -1.73 115.11 119.59 3lui h GLN 84 Ca 0.26 -0.24 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 3lui h GLN 84 Cb 0.10 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3lui h GLN 84 CO -0.03 0.90 -0.30 0.00 -0.67 0.00 0.00 178.83 178.73 3lui h ALA 85 N 1.04 0.69 -0.04 3.87 0.00 -0.43 -1.43 119.26 122.96 3lui h ALA 85 Ca 0.19 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3lui h ALA 85 Cb 0.36 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3lui h ALA 85 CO 0.00 0.67 0.01 0.28 0.00 0.00 0.00 179.25 180.21 3lui h VAL 86 N 0.76 1.19 -0.63 0.00 2.07 -0.91 -2.38 116.25 116.35 3lui h VAL 86 Ca 0.08 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.11 3lui h VAL 86 Cb 0.86 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 3lui h VAL 86 CO 0.08 0.16 0.29 -0.09 0.02 0.00 0.00 177.57 178.03 3lui h ARG 87 N -0.17 0.51 -0.24 1.57 9.65 -1.29 -1.65 114.38 122.76 3lui h ARG 87 Ca 0.01 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 3lui h ARG 87 Cb 0.24 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 3lui h ARG 87 CO 0.00 0.34 -0.03 1.96 2.80 0.00 0.00 179.97 185.04 3lui h GLN 88 N 0.53 0.37 -6.45 0.20 4.20 -1.18 -3.36 115.11 109.43 3lui h GLN 88 Ca 0.30 -0.07 -0.53 0.00 0.06 0.00 0.00 58.65 58.41 3lui h GLN 88 Cb 0.30 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.04 3lui h GLN 88 CO -0.25 0.43 1.07 0.34 -0.67 0.00 0.00 178.83 179.75 3lui s ASP 89 N -6.81 6.53 0.12 1.46 -1.08 -0.90 -4.90 116.67 111.09 3lui s ASP 89 Ca -0.07 2.57 -0.27 0.00 -0.52 0.00 0.00 52.55 54.27 3lui s ASP 89 Cb 0.16 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 39.00 3lui s ASP 89 CO 0.74 -0.94 1.61 -0.65 0.52 0.00 0.00 175.17 176.45 3lui h PRO 90 N 8.73 -0.45 0.81 4.34 0.11 -1.86 0.35 132.00 144.02 3lui h PRO 90 Ca -0.44 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 3lui h PRO 90 Cb 1.21 0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.43 3lui h PRO 90 CO 0.94 -0.30 -0.39 1.25 -0.21 0.00 0.00 178.00 179.29 3lui h LEU 91 N -0.47 -0.92 -0.26 2.35 5.85 -1.93 -3.07 115.31 116.86 3lui h LEU 91 Ca 0.06 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3lui h LEU 91 Cb 0.56 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3lui h LEU 91 CO -0.27 -0.58 0.09 -0.07 -0.34 0.00 0.00 178.44 177.26 3lui h LEU 92 N -1.22 0.37 -2.46 2.25 3.38 -1.78 -2.40 115.31 113.45 3lui h LEU 92 Ca -0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3lui h LEU 92 Cb 0.84 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3lui h LEU 92 CO 0.18 0.46 -0.03 1.23 0.09 0.00 0.00 178.44 180.38 3lui h GLY 93 N 0.26 0.00 -1.77 0.83 0.00 0.64 -2.21 103.07 100.82 3lui h GLY 93 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3lui h GLY 93 CO -0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 3lui n SER 94 N -3.53 2.96 -4.79 0.19 7.64 -1.04 -4.79 113.62 110.26 3lui n SER 94 Ca -0.03 -1.87 -0.34 0.00 1.01 0.00 0.00 58.87 57.64 3lui n SER 94 Cb 0.12 -0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 3lui n SER 94 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3lui s SER 95 N -1.35 6.09 0.30 6.43 1.04 -0.83 -4.93 113.70 120.45 3lui s SER 95 Ca 0.29 2.03 -0.01 0.00 0.48 0.00 0.00 55.95 58.74 3lui s SER 95 Cb 0.18 -2.57 0.47 0.00 0.10 0.00 0.00 66.02 64.20 3lui s SER 95 CO 0.25 -0.96 1.95 -0.08 0.98 0.00 0.00 173.24 175.38 3lui h GLU 96 N 1.40 1.06 0.64 4.02 4.81 -1.91 -1.94 114.58 122.67 3lui h GLU 96 Ca -0.50 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.65 3lui h GLU 96 Cb 1.24 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 3lui h GLU 96 CO 0.58 0.70 -0.44 1.15 -0.73 0.00 0.00 179.01 180.27 3lui h THR 97 N 1.09 0.12 0.04 0.32 2.02 -1.92 0.15 112.91 114.73 3lui h THR 97 Ca 0.33 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.52 3lui h THR 97 Cb -0.02 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 3lui h THR 97 CO -0.09 0.00 -0.10 0.15 0.37 0.00 0.00 175.52 175.85 3lui h PHE 98 N -1.03 -0.25 -0.21 3.16 3.57 -1.79 -1.95 116.94 118.43 3lui h PHE 98 Ca -0.08 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.32 3lui h PHE 98 Cb 0.85 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3lui h PHE 98 CO -0.14 -0.15 -0.33 -0.91 -2.23 0.00 0.00 178.31 174.56 3lui h ASN 99 N -0.19 0.46 -0.41 0.41 2.35 -1.27 -1.91 115.58 115.01 3lui h ASN 99 Ca 0.02 -0.17 -0.14 0.00 -0.55 0.00 0.00 56.30 55.46 3lui h ASN 99 Cb 0.21 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3lui h ASN 99 CO -0.07 0.76 -0.29 0.28 -1.65 0.00 0.00 177.43 176.46 3lui h SER 100 N 0.38 0.98 -0.22 5.81 0.02 -0.59 -1.83 113.55 118.11 3lui h SER 100 Ca 0.05 -0.40 0.04 0.00 -0.84 0.00 0.00 61.79 60.63 3lui h SER 100 Cb 0.76 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 3lui h SER 100 CO 0.06 1.19 -0.01 0.15 -1.14 0.00 0.00 176.83 177.08 3lui h PHE 101 N 0.80 -0.03 -0.48 3.45 3.57 -1.10 -2.19 116.94 120.96 3lui h PHE 101 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3lui h PHE 101 Cb 0.87 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 3lui h PHE 101 CO 0.05 -0.04 0.23 -0.07 -2.23 0.00 0.00 178.31 176.26 3lui h LEU 102 N 0.06 0.62 -0.63 0.59 3.38 -1.21 0.10 115.31 118.22 3lui h LEU 102 Ca 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3lui h LEU 102 Cb 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3lui h LEU 102 CO -0.18 0.57 0.40 0.03 0.09 0.00 0.00 178.44 179.35 3lui h ARG 103 N 0.63 0.84 -0.36 1.13 3.08 -1.20 -1.30 114.38 117.20 3lui h ARG 103 Ca 0.17 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 3lui h ARG 103 Cb 0.11 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3lui h ARG 103 CO -0.02 0.58 -0.40 -0.09 -1.07 0.00 0.00 179.97 178.97 3lui h ARG 104 N 0.86 0.89 -0.62 0.04 9.65 -1.18 -1.35 114.38 122.67 3lui h ARG 104 Ca 0.23 -0.48 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 3lui h ARG 104 Cb -0.06 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 3lui h ARG 104 CO -0.05 1.12 0.40 0.00 2.80 0.00 0.00 179.97 184.25 3lui h ALA 105 N 0.81 0.79 -0.16 2.80 0.00 -0.65 0.42 119.26 123.26 3lui h ALA 105 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lui h ALA 105 Cb 0.99 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3lui h ALA 105 CO 0.10 0.23 0.09 0.37 0.00 0.00 0.00 179.25 180.03 3lui h GLN 106 N 0.84 0.23 -0.93 0.00 4.15 -1.13 -2.04 115.11 116.23 3lui h GLN 106 Ca 0.23 -0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.74 3lui h GLN 106 Cb -0.08 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.49 3lui h GLN 106 CO -0.05 0.25 0.59 1.96 -1.93 0.00 0.00 178.83 179.65 3lui h GLN 107 N 0.16 0.82 0.00 1.69 4.20 -0.68 -1.59 115.11 119.71 3lui h GLN 107 Ca 0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3lui h GLN 107 Cb 0.09 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3lui h GLN 107 CO -0.01 0.54 0.00 0.93 -0.67 0.00 0.00 178.83 179.62 3lui h GLU 108 N 0.84 0.00 -0.02 1.46 4.39 -0.45 -3.51 114.58 117.29 3lui h GLU 108 Ca 0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.16 3lui h GLU 108 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3lui h GLU 108 CO -0.22 0.00 0.00 2.41 -1.16 0.00 0.00 179.01 180.04